SCHEMBL2476841

SCHEMBL2476841

CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2Cl)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.84
TACR2 P21452 1/20 0.72
TACR1 P25103 1/20 0.72

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2478318 1.00 TACR3 (0.84) TACR3TACR2TACR1
SCHEMBL2481084 0.91 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL2478867 0.91 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL2477827 0.91 TACR3 (0.82) TACR3
SCHEMBL2475937 0.91 TACR3 (0.82) TACR3
SCHEMBL2477384 0.91 TACR3 (0.85) TACR3TACR2TACR1
SCHEMBL2478881 0.91 TACR3 (0.85) TACR3TACR2TACR1
SCHEMBL2476611 0.88 TACR3 (0.72) TACR3TACR2TACR1
SCHEMBL2480955 0.88 TACR3 (0.72) TACR3TACR2TACR1
SCHEMBL5791165 0.86 TACR3 (0.79) TACR3TACR2TACR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656349-B1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2011-10-12 EP disclosed